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Hydration of the hydroxide ion: Ab initio calculations and monte carlo simulation

โœ Scribed by G. Andaloro; M.A. Palazzo; M. Migliore; S.L. Fornili


Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
442 KB
Volume
149
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


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Computer simulations of dilute aqueous solutions of Ca\*+ have been performed with a strictly two-body ab initio ion-water potential and an effective ab initio pair potential. The latter includes many-body effects in an average way relying on a continuum polarixable model for the solvent. With the t